3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide

C15H22ClN3O — CID 102667814

IUPAC3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CC2CCCO2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-2-19(10-13-4-3-7-20-13)9-12-6-5-11(15(17)18)8-14(12)16/h5-6,8,13H,2-4,7,9-10H2,1H3,(H3,17,18)
InChIKeyUWKWUPBGSNASLO-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.62
Rot. Bonds6

About 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide

3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 102667814) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID102667814
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CC2CCCO2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O/c1-2-19(10-13-4-3-7-20-13)9-12-6-5-11(15(17)18)8-14(12)16/h5-6,8,13H,2-4,7,9-10H2,1H3,(H3,17,18)
InChIKeyUWKWUPBGSNASLO-UHFFFAOYSA-N
XLogP2.62
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458511
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide (CID 102667814) is 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC)CC2CCCO2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is UWKWUPBGSNASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-19(10-13-4-3-7-20-13)9-12-6-5-11(15(17)18)8-14(12)16/h5-6,8,13H,2-4,7,9-10H2,1H3,(H3,17,18).
What are the key properties of 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide?
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 295.81 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102667814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).